(E)-1-cyclopropyl-N-phenylmethoxyethanimine

C12H15NO — CID 163358834

IUPAC(E)-1-cyclopropyl-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)C1CC1
InChIInChI=1S/C12H15NO/c1-10(12-7-8-12)13-14-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/b13-10+
InChIKeyKKEJTQXPBDFWDA-JLHYYAGUSA-N
MW189.26 g/mol
LogP2.99
Rot. Bonds4

About (E)-1-cyclopropyl-N-phenylmethoxyethanimine

(E)-1-cyclopropyl-N-phenylmethoxyethanimine (PubChem CID 163358834) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (E)-1-cyclopropyl-N-phenylmethoxyethanimine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-N-phenylmethoxyethanimine
PubChem CID163358834
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(E)-1-cyclopropyl-N-phenylmethoxyethanimine
SMILESC/C(=N\OCc1ccccc1)C1CC1
InChIInChI=1S/C12H15NO/c1-10(12-7-8-12)13-14-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/b13-10+
InChIKeyKKEJTQXPBDFWDA-JLHYYAGUSA-N
XLogP2.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-cyclopropyl-1-(4-fluorocyclohexyl)-N-phenylmethoxymethanimine
CID 140515381
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
CID 11231189
(2E)-2-phenylmethoxyiminopropanamide
CID 6108919
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
cis-(1R,3S)-3-[(E)-C-methyl-N-(pyridin-2-ylmethoxy)carbonimidoyl]cyclopentan-1-amine
CID 24745800
methyl (2Z)-3-oxo-2-phenylmethoxyiminobutanoate
CID 10868261
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
CID 11172393
3,3,5-trimethyl-5-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]cyclohexan-1-amine
CID 20692217
(2E)-2-phenylmethoxyiminobutane-1,3-diol
CID 11138334

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-N-phenylmethoxyethanimine?
The IUPAC name of (E)-1-cyclopropyl-N-phenylmethoxyethanimine (CID 163358834) is (E)-1-cyclopropyl-N-phenylmethoxyethanimine.
What is the SMILES notation for (E)-1-cyclopropyl-N-phenylmethoxyethanimine?
The canonical SMILES for (E)-1-cyclopropyl-N-phenylmethoxyethanimine is C/C(=N\OCc1ccccc1)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-N-phenylmethoxyethanimine?
The InChIKey is KKEJTQXPBDFWDA-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(12-7-8-12)13-14-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/b13-10+.
What are the key properties of (E)-1-cyclopropyl-N-phenylmethoxyethanimine?
(E)-1-cyclopropyl-N-phenylmethoxyethanimine has a molecular weight of 189.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-N-phenylmethoxyethanimine is sourced from PubChem (CID 163358834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).